| 2 |
|
#define OPTIMIZATION_STATUSFUNCTION_HPP |
| 3 |
|
#include "config.h" |
| 4 |
|
#include "io/DumpWriter.hpp" |
| 5 |
+ |
#include "brains/Stats.hpp" |
| 6 |
|
#include "io/StatWriter.hpp" |
| 7 |
|
|
| 8 |
|
namespace OpenMD { |
| 21 |
|
class DumpStatusFunction : public StatusFunction { |
| 22 |
|
|
| 23 |
|
public: |
| 24 |
< |
DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info), thermo(info) { |
| 24 |
> |
DumpStatusFunction(SimInfo* info) : StatusFunction(), info_(info) { |
| 25 |
> |
stats = new Stats(info_); |
| 26 |
|
dumpWriter = new DumpWriter(info_); |
| 27 |
< |
StatsBitSet mask; |
| 27 |
> |
Stats::StatsBitSet mask; |
| 28 |
|
mask.set(Stats::TIME); |
| 29 |
|
mask.set(Stats::POTENTIAL_ENERGY); |
| 30 |
< |
statWriter = new StatWriter(info_->getStatFileName(), mask); |
| 30 |
> |
stats->setStatsMask(mask); |
| 31 |
> |
statWriter = new StatWriter(info_->getStatFileName(), stats); |
| 32 |
|
} |
| 33 |
|
virtual void writeStatus(int functionCount, int gradientCount, const DynamicVector<RealType>& x, RealType f) { |
| 34 |
|
Snapshot* curSnapshot =info_->getSnapshotManager()->getCurrentSnapshot(); |
| 32 |
– |
thermo.saveStat(); |
| 35 |
|
curSnapshot->setTime(functionCount); |
| 36 |
+ |
|
| 37 |
+ |
stats->collectStats(); |
| 38 |
+ |
statWriter->writeStat(); |
| 39 |
+ |
|
| 40 |
|
dumpWriter->writeDumpAndEor(); |
| 35 |
– |
statWriter->writeStat(curSnapshot->statData); |
| 41 |
|
} |
| 42 |
|
~DumpStatusFunction() { |
| 43 |
|
delete dumpWriter; |
| 46 |
|
|
| 47 |
|
private: |
| 48 |
|
SimInfo* info_; |
| 49 |
+ |
Stats* stats; |
| 50 |
|
DumpWriter* dumpWriter; |
| 51 |
< |
StatWriter* statWriter; |
| 46 |
< |
Thermo thermo; |
| 51 |
> |
StatWriter* statWriter; |
| 52 |
|
}; |
| 53 |
|
|
| 54 |
|
|
